2-(3,4-dimethylanilino)cycloheptan-1-ol

C15H23NO — CID 60896994

IUPAC2-(3,4-dimethylanilino)cycloheptan-1-ol
SMILESCc1ccc(NC2CCCCCC2O)cc1C
InChIInChI=1S/C15H23NO/c1-11-8-9-13(10-12(11)2)16-14-6-4-3-5-7-15(14)17/h8-10,14-17H,3-7H2,1-2H3
InChIKeyPLBHAJRJIVQBTO-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.41
Rot. Bonds2

About 2-(3,4-dimethylanilino)cycloheptan-1-ol

2-(3,4-dimethylanilino)cycloheptan-1-ol (PubChem CID 60896994) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)cycloheptan-1-ol.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)cycloheptan-1-ol
PubChem CID60896994
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-(3,4-dimethylanilino)cycloheptan-1-ol
SMILESCc1ccc(NC2CCCCCC2O)cc1C
InChIInChI=1S/C15H23NO/c1-11-8-9-13(10-12(11)2)16-14-6-4-3-5-7-15(14)17/h8-10,14-17H,3-7H2,1-2H3
InChIKeyPLBHAJRJIVQBTO-UHFFFAOYSA-N
XLogP3.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dimethylanilino)cycloheptan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1R,2R)-2-(3,4-dimethylanilino)cyclopentan-1-ol
CID 102732999
trans-(1R,2R)-2-(4-fluoro-3-methylanilino)cyclohexan-1-ol
CID 102731211
trans-(1S,2S)-2-[3-(dimethylamino)-4-methylanilino]cyclohexan-1-ol
CID 102731527
N-(2-cyclohexylcyclohexyl)-3,4-dimethylaniline
CID 63422587
(1R)-2-(4-methylanilino)cyclohexan-1-ol
CID 134547011
N-(3,4-dimethylphenyl)-2-methylthian-3-amine
CID 79957620
trans-(1S,2S)-2-(4-methylanilino)cyclopentan-1-ol
CID 93345908
trans-(1S,2S)-2-(3,4-difluoroanilino)cyclohexan-1-ol
CID 102730932
2-(4-bromo-3-methoxyanilino)cyclohexan-1-ol
CID 82868019
2-(2,3-dihydro-1H-inden-5-ylamino)cyclohexan-1-ol
CID 60886704
trans-(1R,2R)-2-(4-methoxyanilino)cyclooctan-1-ol
CID 15891180
trans-(1R,2R)-2-(2,5-dimethylanilino)cyclohexan-1-ol
CID 15550734

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)cycloheptan-1-ol?
The IUPAC name of 2-(3,4-dimethylanilino)cycloheptan-1-ol (CID 60896994) is 2-(3,4-dimethylanilino)cycloheptan-1-ol.
What is the SMILES notation for 2-(3,4-dimethylanilino)cycloheptan-1-ol?
The canonical SMILES for 2-(3,4-dimethylanilino)cycloheptan-1-ol is Cc1ccc(NC2CCCCCC2O)cc1C.
What is the InChIKey of 2-(3,4-dimethylanilino)cycloheptan-1-ol?
The InChIKey is PLBHAJRJIVQBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-8-9-13(10-12(11)2)16-14-6-4-3-5-7-15(14)17/h8-10,14-17H,3-7H2,1-2H3.
What are the key properties of 2-(3,4-dimethylanilino)cycloheptan-1-ol?
2-(3,4-dimethylanilino)cycloheptan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylanilino)cycloheptan-1-ol is sourced from PubChem (CID 60896994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).